Re: [ccp4bb] Calculate dipole moment of ligands from their coordinates

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Subject: Fwd: Calculate dipole moment of ligands from their coordinates
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Date: 2008-01-28

Subject: Re: Calculate dipole moment of ligands from their coordinates
From: Miguel_Ortiz-Lombardía ibdeno {- at -} GMAIL {- dot -} COM
Date: 2008-01-26

Hi Zheng,

I have python script that does so if you have the program 'pdb2pqr'
installed (http://pdb2pqr.sourceforge.net/)

Let me know if you're interested.

Cheers,

Miguel

2008/1/19, Zheng Zhou :
>
> Hi, All
>
> Sorry about non-CCP4 questions. It is the best board I find so far to
> learn stuff related to structure biology. Could anyone suggest me any
> program that calculates dipole moment of a ligand from its coordinates?
>
> Thanks, sorry to bother others.
>
> Zheng
>

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CCP4bb <-- 2008 <-- January 2008 <-- 26 January 2008

Previous message:
Subject: Job offer: Postdoctoral Position at TU Munich
From: "Prof {- dot -} Dr {- dot -} Arne Skerra" skerra {- at -} WZW {- dot -} TUM {- dot -} DE
Date: 2008-01-26

Next message:
Subject: Fwd: Calculate dipole moment of ligands from their coordinates
From: Miguel_Ortiz-Lombardía ibdeno {- at -} GMAIL {- dot -} COM
Date: 2008-01-28